SCHEMBL30958260

SCHEMBL30958260

CCSc1cc(NC(=O)C(C)(C)O)cnc1-c1nc2cc(C(F)(F)F)ncc2n1C

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ENPP1 P22413 5/20 0.33
▸ IRAK4 Q9NWZ3 2/20 0.32
▸ AR P10275 6/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ AGPAT2 O15120 1/20 0.31
▸ PTGES O14684 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ CYP2C9 P11712 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL22683344 1.00 ENPP1 (0.33) ENPP1IRAK4ARCNR1CNR2
SCHEMBL20936300 0.88 AGPAT2 (0.34) ENPP1IRAK4ARAGPAT2POLB
SCHEMBL30958249 0.86 GNRHR (0.41) POLB
SCHEMBL22683321 0.86 GNRHR (0.41) POLB
SCHEMBL22683353 0.85 — —
SCHEMBL30958308 0.85 — —
SCHEMBL30958261 0.85 AR (0.35) ARCNR1CNR2
SCHEMBL22683317 0.85 AR (0.35) ARCNR1CNR2
SCHEMBL20936359 0.83 — —
SCHEMBL16346243 0.81 POLB (0.31) POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118745174-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-10-08 — — CN claimed
CN-111836810-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-06-25 — — CN claimed
CN-118745174-A Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-10-08 — — CN disclosed
CN-111836810-B Pesticidally active heterocyclic derivatives with sulfur containing substituents 先正达参股股份有限公司 2024-06-25 — — CN disclosed
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